4-chloranyl-3-methyl-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-chloranyl-3-methyl-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-benzyl-4-chloro-3-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-chloro-3-methyl-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-benzyl-4-chloro-3-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-benzyl-4-chloro-3-methyl-pyrazolo[3,4-d]pyrimidine Formula: C13H11ClN4 MolecularWeight: 258.70624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC=N2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C2=C1C(=NC=N2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C13H11ClN4/c1-9-11-12(14)15-8-16-13(11)18(17-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3